Nombre del analito

Deschloro Lenacapavir

Número CAS

3025145-47-2

Fórmula molecular

C39H33F10N7O5S2

Peso molecular

933.84

Masa exacta

933.18

SMILES

C(F)(F)(F)C=1C=2[C@@]3([C@@](C3)(C(F)(F)C2N(CC(N[C@@H](CC4=CC(F)=CC(F)=C4)C5=C(C=CC(C#CC(S(C)(=O)=O)(C)C)=N5)C6=C7C(C(NS(C)(=O)=O)=NN7CC(F)(F)F)=CC=C6)=O)N1)[H])[H]

InChI

InChI=1S/C39H33F10N7O5S2/c1-36(2,62(3,58)59)11-10-22-8-9-23(24-6-5-7-25-32(24)56(18-37(42,43)44)53-35(25)54-63(4,60)61)31(50-22)28(14-19-12-20(40)15-21(41)13-19)51-29(57)17-55-34-30(33(52-55)39(47,48)49)26-16-27(26)38(34,45)46/h5-9,12-13,15,26-28H,14,16-18H2,1-4H3,(H,51,57)(H,53,54)/t26-,27+,28-/m0/s1

IUPAC

2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-N-((S)-2-(3,5-difluorophenyl)-1-(6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)-3-(3-(methylsulfonamido)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)pyridin-2-yl)ethyl)acetamide

País de origen

CANADA

Formato del producto

Neat